CAS 277756-46-4 1-(Trifluoromethyl)cyclopropane-1-carboxylic acid (HCID 2778306)

기본 정보

CAS: 277756-46-4
표준 SMILES: O=C(O)C1(C(F)(F)F)CC1
InChIKey: SKCBKBCACWDALV-UHFFFAOYSA-N
분자식: C5H5F3O2
평균 분자량: 154.09 g/mol
단동위원소 질량: 154.02416406

이름 및 식별자

우선 이름: 1-(Trifluoromethyl)cyclopropane-1-carboxylic acid
IUPAC: 1-(trifluoromethyl)cyclopropane-1-carboxylic acid
영어명: 1-Trifluoromethylcyclopropane-1-carboxylic acid
분자식: C5H5F3O2
분자량: 154.09

이름 및 동의어

277756-46-41-(Trifluoromethyl)cyclopropane-1-carboxylic acid1-(trifluoromethyl)cyclopropanecarboxylic acidDTXSID80380857RefChem:428832DTXCID60331882629-220-01-Trifluoromethylcyclopropane-1-carboxylic acidMFCD03093070CYCLOPROPANECARBOXYLIC ACID, 1-(TRIFLUOROMETHYL)-1-trifluoromethylcyclopropanecarboxylic acidSCHEMBL18559

이름 더 보기

1-(TRIFLUOROMETHYL)CYCLOPROPANE-1-CARBO&1-Carboxy-1-(trifluoromethyl)cyclopropane1-(Trifluoromethyl)cyclopropan-carboxylic acid1-(Trifluoromethyl)cyclopropane-1-carboxylicacid99%1-Trifluoromethylcyclopropane-1-carboxylic acid ,97%1-(Trifluoromethyl)cyclopropane-1-carboxylic acid 99%

1-(Trifluoromethyl)cyclopropanecarboxylicacidAB131991-trifluoromethyl-cyclopropanecarboxylic acidEN300-649161-(Trifluoromethyl)cyclopropane-1-carboxylic acid, 97%1-(Trifluoromethyl)cyclopropane-1-carboxylicacid1-TRIFLUOROMETHYLCYCLOPROPANE-1-CARBOXYLICACID1-(trifluoromethyl)-1-cyclopropanecarboxylic acid

데이터베이스 식별자

CAS: 277756-46-4
PubChem CID: 2778306
DTXSID: DTXSID80380857
EC Number: 629-220-0
Nikkaji: J1.298.203H

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 168

물리화학적 성질

녹는점: 86 °C · 86 °C
끓는 점: 182 · 182-184°C
밀도: 1.588 · 1.588±0.06 g/cm3(Predicted)
인화점: 182 · 182-184°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 3.03 · 3.03±0.20(Predicted)
색상: 흰색에서 거의 흰색
BRN: 8543283 · 8543283
InChI: InChI=1S/C5H5F3O2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H,9,10)
InChIKey: SKCBKBCACWDALV-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)(C(O)=O)CC1

화학적 성질

Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (79.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (79.6%)

안전 데이터

wgk: 3
ridadr: 3261
HS 번호: 29162090
risk_code: 34-22
hazard_code: C,Xi
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Irritant
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials